Acta Cryst. (2009). E65, o273  [ doi:10.1107/S1600536809000403 ]

1-(4-Bromophenyl)-2-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-phenyl-4H-1,2,4-triazol-3-ylsulfanyl}ethanone

S.-M. Xiao

Online 10 January 2009

Key indicators

• Single-crystal X-ray study
• T = 294 K
• Mean (C-C) = 0.005 Å
• R factor = 0.041
• wR factor = 0.101
• Data-to-parameter ratio = 14.3

checkCIF/PLATON results

No syntax errors found




Alert level C
            Value of measurement temperature given =   294.000
            Value of melting point given =     0.000
PLAT220_ALERT_2_C Large Non-Solvent    C     Ueq(max)/Ueq(min) ...       2.59 Ratio
PLAT154_ALERT_1_C The su's on the Cell Angles are Equal  (x 10000)        400 Deg. 

   0 ALERT level A = In general: serious problem
   0 ALERT level B = Potentially serious problem
   2 ALERT level C = Check and explain
   0 ALERT level G = General alerts; check

   1 ALERT type 1 CIF construction/syntax error, inconsistent or missing data
   1 ALERT type 2 Indicator that the structure model may be wrong or deficient
   0 ALERT type 3 Indicator that the structure quality may be low
   0 ALERT type 4 Improvement, methodology, query or suggestion
   0 ALERT type 5 Informative message, check

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